CID 704088

81518-26-5

Structural Information

Molecular Formula

C₁₄H₁₁N₃OS

SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3O

InChI

InChI=1S/C14H11N3OS/c18-12-9-5-4-8-11(12)13-15-16-14(19)17(13)10-6-2-1-3-7-10/h1-9,18H,(H,16,19)

InChIKey

OPECQRMMGCXRAG-UHFFFAOYSA-N

Compound name

3-(2-hydroxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 5
Patents: 269.0623 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.06958	159.2
[M+Na]+	292.05152	174.6
[M+NH4]+	287.09612	167.0
[M+K]+	308.02546	167.0
[M-H]-	268.05502	163.4
[M+Na-2H]-	290.03697	168.4
[M]+	269.06175	163.0
[M]-	269.06285	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe